ICET – A Python Library for Constructing and Sampling Alloy Cluster Expansions [PDF]
Advanced Theory and Simulations, 2019 AbstractAlloy cluster expansions (CEs) provide an accurate and computationally efficient mapping of the potential energy surface of multi‐component systems that enables comprehensive sampling of the many‐dimensional configuration space. Here, integrated cluster expansion toolkit (ICET), a flexible, extensible, and computationally efficient software ...
Mattias Ångqvist +7 more
openaire +5 more sources
Programming biological models in Python using PySB [PDF]
Molecular Systems Biology, 2013 Mathematical equations are fundamental to modeling biological networks, but as networks get large and revisions frequent, it becomes difficult to manage equations directly or to combine previously developed models. Multiple simultaneous efforts to create
Carlos F Lopez +3 more
doaj +2 more sources
Refactoring to Pythonic Idioms: A Hybrid Knowledge-Driven Approach Leveraging Large Language Models [PDF]
Pythonic idioms are highly valued and widely used in the Python programming community. However, many Python users find it challenging to use Pythonic idioms. Adopting a rule-based approach or LLM-only approach is not sufficient to overcome three persistent challenges of code idiomatization including code miss, wrong detection and wrong refactoring ...
Lu, Qinghua +4 more
arxiv +3 more sources
pynucastro 2.1: an update on the development of a python library for nuclear astrophysics [PDF]
arXiv, 2023 pynucastro is a python library that provides visualization and analyze techniques to classify, construct, and evaluate nuclear reaction rates and networks. It provides tools that allow users to determine the importance of each rate in the network, based on a specified list of thermodynamic properties. Additionally, pynucastro can output a network in C++
Boyd, Brendan +7 more
arxiv +2 more sources
Review of libraries for constructing the multiagent systems in the Python environment [PDF]
Politechnical student journal, 2018 А.М. Журавлев
openaire +2 more sources
Implementation of generalized estimating equations and mixed linear models in Python [PDF]
Yixue xinzhi zazhi, 2022 Objective Explore the implementation of generalized estimation equations (GEE) and mixed linear models (MLM) in longitudinal data analysis using Python software, and expand its application in statistical analysis.Methods GEE and MLM were constructed by ...
Kui-Zhuang JIAO +5 more
doaj +1 more source
A Python library for computing individual and merged non-CO2 algorithmic climate change functions: CLIMaCCF V1.0 [PDF]
Geoscientific Model Development, 2023 Aviation aims to reduce its climate effect by adopting trajectories that avoid regions of the atmosphere where aviation emissions have a large impact.
S. Dietmüller +15 more
doaj +1 more source
Regional CO2 inversions with LUMIA, the Lund University Modular Inversion Algorithm, v1.0 [PDF]
Geoscientific Model Development, 2021 Atmospheric inversions are used to derive constraints on the net sources and sinks of CO2 and other stable atmospheric tracers from their observed concentrations.
G. Monteil, M. Scholze
doaj +1 more source
PeptideBuilder: A simple Python library to generate model peptides [PDF]
PeerJ, 2013 We present a simple Python library to construct models of polypeptides from scratch. The intended use case is the generation of peptide models with pre-specified backbone angles.
Matthew Z. Tien +3 more
doaj +2 more sources
Al-Khawarizmi Engineering Journal, 2023 Codes of red, green, and blue data (RGB) extracted from a lab-fabricated colorimeter device were used to build a proposed classifier with the objective of classifying colors of objects based on defined categories of fundamental colors.
Shahad A. Mnati +2 more
doaj +1 more source